
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.31     1.31
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.31     1.31
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      44_A - 104_A       0.99     1.33
  LONGEST_CONTINUOUS_SEGMENT:    61      46_A - 106_A       1.00     1.33
  LONGEST_CONTINUOUS_SEGMENT:    61      47_A - 107_A       0.96     1.35
  LCS_AVERAGE:     50.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     1_A     G     1_A     41  109  109      8   82   91  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     46  109  109     45   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     46  109  109      6   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     46  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     46  109  109     19   81   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     46  109  109     16   77   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     46  109  109     16   39   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     46  109  109      3   44   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     46  109  109      7   41   91  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     46  109  109     10   29   80   99  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     46  109  109     10   65   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     46  109  109      9   46   92  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     46  109  109      9   16   36   84  104  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     46  109  109      9   19   89   99  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     61  109  109     56   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     61  109  109     19   70   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     61  109  109     17   75   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     61  109  109     60   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     61  109  109     10   29   89  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     61  109  109     10   22   72   97  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     61  109  109     13   80   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     61  109  109      3    4    4   55   88   97  105  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     61  109  109      4   56   91  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     61  109  109     48   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     61  109  109     61   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     61  109  109     61   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     61  109  109     61   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     61  109  109      5   80   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     61  109  109     68   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     61  109  109     69   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     61  109  109     65   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     61  109  109     65   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     61  109  109     68   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     61  109  109     35   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     61  109  109     30   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     61  109  109     34   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     61  109  109     42   85   93  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     61  109  109     30   85   91  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     61  109  109     23   80   91  100  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     61  109  109     31   84   91  101  105  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     59  109  109      4   24   76   93   98  104  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     28  109  109      3    3    6    7   11   16   86  102  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  83.40  (  50.20  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     69     85     93    101    105    106    106    107    108    109    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  63.30  77.98  85.32  92.66  96.33  97.25  97.25  98.17  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.46   0.69   0.85   0.97   1.02   1.02   1.08   1.16   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31
GDT RMS_ALL_AT   1.38   1.35   1.35   1.32   1.33   1.34   1.34   1.32   1.32   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31

# Checking swapping
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E   103_A      E   103_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.666     0    0.038   0.038     1.893   77.143   77.143
LGA    P     2_A      P     2_A     1.063     0    0.014   0.152     1.648   85.952   82.789
LGA    I     3_A      I     3_A     0.516     0    0.055   0.916     2.844   92.857   82.083
LGA    I     4_A      I     4_A     0.556     0    0.051   0.871     2.466   92.857   85.119
LGA    E     5_A      E     5_A     0.588     0    0.012   0.955     5.040   95.238   75.026
LGA    N     6_A      N     6_A     0.330     0    0.021   0.083     0.642  100.000   98.810
LGA    C     7_A      C     7_A     0.290     0    0.020   0.048     0.313  100.000  100.000
LGA    A     8_A      A     8_A     0.318     0    0.061   0.074     0.355  100.000  100.000
LGA    A     9_A      A     9_A     0.242     0    0.041   0.038     0.443  100.000  100.000
LGA    F    10_A      F    10_A     0.219     0    0.013   0.068     0.519  100.000   99.134
LGA    I    11_A      I    11_A     0.136     0    0.011   0.071     0.368  100.000  100.000
LGA    E    12_A      E    12_A     0.302     0    0.017   0.049     0.628  100.000   96.825
LGA    K    13_A      K    13_A     0.409     0    0.078   1.298     6.208   95.238   73.280
LGA    T    14_A      T    14_A     0.759     0    0.104   1.011     2.424   92.857   84.354
LGA    M    15_A      M    15_A     0.509     0    0.069   0.275     0.742   95.238   95.238
LGA    S    16_A      S    16_A     0.933     0    0.070   0.112     1.414   90.476   87.460
LGA    K    17_A      K    17_A     0.554     0    0.008   1.438     6.150   92.857   76.720
LGA    Y    18_A      Y    18_A     0.504     0    0.035   0.064     0.670   92.857   96.032
LGA    A    19_A      A    19_A     0.436     0    0.045   0.054     0.567  100.000   98.095
LGA    I    20_A      I    20_A     0.477     0    0.028   0.035     0.687   97.619   94.048
LGA    T    21_A      T    21_A     0.595     0    0.024   0.060     0.947   90.476   90.476
LGA    L    22_A      L    22_A     0.600     0    0.033   0.079     0.977   90.476   90.476
LGA    S    23_A      S    23_A     0.412     0    0.033   0.080     0.621  100.000   98.413
LGA    D    24_A      D    24_A     0.474     0    0.111   0.203     1.488   97.619   92.917
LGA    G    25_A      G    25_A     0.444     0    0.042   0.042     0.608   95.238   95.238
LGA    T    26_A      T    26_A     0.604     0    0.018   0.070     0.880   90.476   90.476
LGA    I    27_A      I    27_A     0.681     0    0.027   0.110     0.975   90.476   90.476
LGA    L    28_A      L    28_A     0.607     0    0.012   0.049     0.679   90.476   90.476
LGA    K    29_A      K    29_A     0.507     0    0.035   0.461     2.442   92.857   87.778
LGA    S    30_A      S    30_A     0.802     0    0.031   0.043     0.959   90.476   90.476
LGA    T    31_A      T    31_A     0.860     0    0.047   0.061     0.956   90.476   90.476
LGA    I    32_A      I    32_A     0.616     0    0.064   0.105     0.975   90.476   95.238
LGA    K    33_A      K    33_A     0.869     0    0.084   0.716     5.775   95.238   72.857
LGA    N    34_A      N    34_A     1.180     0    0.047   0.243     2.812   81.548   73.214
LGA    E    35_A      E    35_A     1.401     0    0.010   1.093     4.098   75.119   72.751
LGA    T    36_A      T    36_A     1.543     0    0.063   0.085     1.902   75.000   74.082
LGA    L    37_A      L    37_A     1.653     0    0.048   1.380     2.951   72.976   72.083
LGA    K    38_A      K    38_A     2.190     0    0.032   0.802     7.758   64.881   44.603
LGA    K    39_A      K    39_A     2.596     0    0.108   0.189     3.031   57.262   57.196
LGA    T    40_A      T    40_A     1.712     0    0.095   1.125     2.443   72.857   71.769
LGA    F    41_A      F    41_A     2.011     0    0.070   1.064     5.422   66.786   51.991
LGA    P    42_A      P    42_A     3.434     0    0.011   0.280     5.153   53.571   45.850
LGA    I    43_A      I    43_A     2.473     0    0.012   0.080     3.821   69.048   59.643
LGA    L    44_A      L    44_A     0.458     0    0.025   0.086     1.434   92.976   90.655
LGA    K    45_A      K    45_A     1.794     0    0.024   0.784     3.128   75.000   65.979
LGA    N    46_A      N    46_A     1.739     0    0.029   0.865     5.840   81.667   60.179
LGA    L    47_A      L    47_A     0.682     0    0.020   0.076     2.732   88.214   77.619
LGA    L    48_A      L    48_A     1.887     0    0.046   0.092     2.897   71.310   67.083
LGA    K    49_A      K    49_A     2.748     0    0.033   0.828     7.167   57.262   41.852
LGA    D    50_A      D    50_A     1.519     0    0.082   0.459     5.330   77.143   58.512
LGA    Q    51_A      Q    51_A     4.686     0    0.335   0.791    11.428   37.976   19.153
LGA    I    52_A      I    52_A     1.996     0    0.144   1.132     2.868   75.119   70.000
LGA    P    53_A      P    53_A     0.740     0    0.048   0.092     1.392   88.214   86.599
LGA    T    54_A      T    54_A     0.267     0    0.008   0.039     0.389  100.000  100.000
LGA    G    55_A      G    55_A     0.575     0    0.043   0.043     0.610   92.857   92.857
LGA    S    56_A      S    56_A     0.564     0    0.060   0.701     2.611   92.857   86.508
LGA    S    57_A      S    57_A     0.634     0    0.096   0.140     0.961   90.476   90.476
LGA    F    58_A      F    58_A     0.376     0    0.052   0.104     0.705  100.000   96.537
LGA    F    59_A      F    59_A     0.414     0    0.068   0.109     0.600  100.000   94.805
LGA    K    60_A      K    60_A     0.467     0    0.032   0.686     3.322   97.619   88.148
LGA    L    61_A      L    61_A     0.378     0    0.020   0.159     1.271   95.238   91.726
LGA    P    62_A      P    62_A     0.339     0    0.086   0.093     0.430  100.000  100.000
LGA    V    63_A      V    63_A     0.236     0    0.039   0.074     0.734  100.000   98.639
LGA    V    64_A      V    64_A     0.404     0    0.040   0.126     0.592   97.619   97.279
LGA    F    65_A      F    65_A     0.242     0    0.025   0.073     0.667  100.000   97.403
LGA    F    66_A      F    66_A     0.356     0    0.043   0.071     0.508  100.000   98.268
LGA    R    67_A      R    67_A     0.294     0    0.036   0.484     2.205  100.000   90.260
LGA    V    68_A      V    68_A     0.248     0    0.057   1.204     2.644  100.000   87.483
LGA    T    69_A      T    69_A     0.287     0    0.013   0.060     0.330  100.000  100.000
LGA    D    70_A      D    70_A     0.546     0    0.065   0.300     1.699   92.857   89.464
LGA    N    71_A      N    71_A     0.539     0    0.177   1.178     4.498   95.238   80.774
LGA    V    72_A      V    72_A     0.471     0    0.027   0.029     0.532  100.000   98.639
LGA    I    73_A      I    73_A     0.430     0    0.020   0.647     1.657  100.000   95.417
LGA    V    74_A      V    74_A     0.399     0    0.010   0.070     0.744  100.000   97.279
LGA    I    75_A      I    75_A     0.388     0    0.014   0.052     0.466  100.000  100.000
LGA    L    76_A      L    76_A     0.490     0    0.031   0.055     0.601   97.619   96.429
LGA    L    77_A      L    77_A     0.365     0    0.071   0.074     0.544   97.619   98.810
LGA    T    78_A      T    78_A     0.546     0    0.009   0.051     0.926   92.857   93.197
LGA    N    79_A      N    79_A     1.306     0    0.031   1.153     5.609   81.429   62.560
LGA    E    80_A      E    80_A     0.665     0    0.024   0.561     2.499   90.476   81.905
LGA    K    81_A      K    81_A     0.858     0    0.042   0.965     6.452   90.476   70.847
LGA    E    82_A      E    82_A     0.537     0    0.035   0.243     0.707   92.857   94.709
LGA    N    83_A      N    83_A     0.621     0    0.014   0.299     1.416   92.857   91.726
LGA    I    84_A      I    84_A     0.189     0    0.036   0.677     3.187  100.000   92.560
LGA    I    85_A      I    85_A     0.324     0    0.013   0.025     0.415  100.000  100.000
LGA    L    86_A      L    86_A     0.528     0    0.071   0.080     0.681   92.857   95.238
LGA    S    87_A      S    87_A     0.583     0    0.017   0.044     0.692   90.476   90.476
LGA    M    88_A      M    88_A     0.574     0    0.024   0.143     0.979   90.476   91.667
LGA    F    89_A      F    89_A     0.538     0    0.024   0.069     0.770   95.238   93.074
LGA    E    90_A      E    90_A     0.575     0    0.065   0.584     2.881   92.857   86.825
LGA    L    91_A      L    91_A     0.470     0    0.013   1.401     3.427   97.619   82.798
LGA    F    92_A      F    92_A     0.229     0    0.007   0.086     0.339  100.000  100.000
LGA    S    93_A      S    93_A     0.258     0    0.056   0.078     0.470  100.000  100.000
LGA    T    94_A      T    94_A     0.333     0    0.053   0.115     0.455  100.000  100.000
LGA    Q    95_A      Q    95_A     0.338     0    0.027   0.080     0.374  100.000  100.000
LGA    F    96_A      F    96_A     0.218     0    0.048   0.082     0.260  100.000  100.000
LGA    A    97_A      A    97_A     0.291     0    0.035   0.038     0.496  100.000  100.000
LGA    E    98_A      E    98_A     0.512     0    0.038   0.760     3.434   92.857   83.280
LGA    K    99_A      K    99_A     0.623     0    0.032   0.286     1.140   90.476   89.471
LGA    L   100_A      L   100_A     0.456     0    0.029   0.037     0.765   95.238   97.619
LGA    A   101_A      A   101_A     1.057     0    0.012   0.024     1.386   83.690   83.238
LGA    L   102_A      L   102_A     1.299     0    0.036   0.056     1.569   79.286   79.286
LGA    E   103_A      E   103_A     1.135     0    0.012   0.732     1.795   81.429   81.481
LGA    Y   104_A      Y   104_A     1.107     0    0.046   0.073     1.250   81.429   87.460
LGA    P   105_A      P   105_A     1.636     0    0.012   0.041     1.888   75.000   74.082
LGA    R   106_A      R   106_A     2.076     0    0.137   1.208     9.701   63.095   41.082
LGA    T   107_A      T   107_A     1.937     0    0.019   0.107     2.611   65.000   70.816
LGA    Y   108_A      Y   108_A     3.766     0    0.490   1.250    10.267   43.452   25.278
LGA    E   109_A      E   109_A     6.644     0    0.663   1.005    13.554   11.905    5.767

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     1.310          1.315                  2.150           88.562   83.967

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    107    1.08    92.202    95.944     9.068

LGA_LOCAL      RMSD:   1.080  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.323  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.310  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.177295 * X  +  -0.884039 * Y  +  -0.432484 * Z  +  12.418484
  Y_new =  -0.970536 * X  +  -0.084194 * Y  +  -0.225767 * Z  +   8.392428
  Z_new =   0.163174 * X  +   0.459769 * Y  +  -0.872919 * Z  +  13.700689 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.390112 -0.163907  2.656812   [DEG:  -79.6475   -9.3912  152.2241 ]
ZXZ: -1.089686  2.631949  0.341037   [DEG:  -62.4344  150.7996   19.5400 ]
 
# END of job
